N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide

C11H19NO2 — CID 76994622

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(O)C1CC1
InChIInChI=1S/C11H19NO2/c1-3-4-8(2)11(14)12-7-10(13)9-5-6-9/h4,9-10,13H,3,5-7H2,1-2H3,(H,12,14)
InChIKeySQVGXFNLIJMBJO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide (PubChem CID 76994622) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide
PubChem CID76994622
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCC(O)C1CC1
InChIInChI=1S/C11H19NO2/c1-3-4-8(2)11(14)12-7-10(13)9-5-6-9/h4,9-10,13H,3,5-7H2,1-2H3,(H,12,14)
InChIKeySQVGXFNLIJMBJO-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide (CID 76994622) is N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide?
The InChIKey is SQVGXFNLIJMBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-8(2)11(14)12-7-10(13)9-5-6-9/h4,9-10,13H,3,5-7H2,1-2H3,(H,12,14).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpent-2-enamide is sourced from PubChem (CID 76994622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).